A novel definition for the hydrogen bond is recommended here. It takes into account the theoretical and experimental knowledge acquired over the past century. This definition insists on some evidence. Six criteria are listed that could be used as evidence for the presence of a hydrogen bond.
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Pure and Applied Chemistry
The Scientific Journal of IUPAC
Ed. by Burrows, Hugh / Stohner, Jürgen
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Volume 60 (1988)
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Volume 56 (1984)
- Issue 12 (Dec 1984) , pp. 1659-1842
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Volume 54 (1982)
- Issue 12 (Dec 1982) , pp. 2285-2784
- Issue 11 (Nov 1982) , pp. 2011-2284
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Volume 53 (1981)
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Volume 52 (1980)
- Issue 12 (Dec 1980) , pp. 2591-2769
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- Preface
- Superelectrophilic chemistry in the gas phase
- Does glycosyl transfer involve an oxacarbenium intermediate? Computational simulation of the lifetime of the methoxymethyl cation in water
- A graph-theoretical model for ballistic conduction in single-molecule conductors
- Dendron-functionalized multiwalled carbon nanotubes incorporating polyoxometalates for water-splitting catalysis
- Benzopyrrole derivatives as effective anion receptors in highly competitive solvents
- Enzymatic catalysis of proton transfer and decarboxylation reactions
- State diagrams for improving processing and storage of foods, biological materials, and pharmaceuticals (IUPAC Technical Report)
- Defining the hydrogen bond: An account (IUPAC Technical Report)
- Definition of the hydrogen bond (IUPAC Recommendations 2011)
Definition of the hydrogen bond (IUPAC Recommendations 2011)
Elangannan Arunan
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- Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
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- Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India
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- Department of Chemistry, Laboratory of Intermolecular Interactions, University of Warsaw, Warsaw, PL-02093, Poland
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- Department of Chemistry and Biochemistry, 0300 Old Main Hall, Utah State University, Logan, UT 84322, USA
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- Medicinal Chemistry Institute, Juan de la Cierva 3, Madrid E-28006, Spain
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- Department of Physical and Theoretical Chemistry, Oxford University, South Parks Road, Oxford OX1 3QZ, UK
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- Department of Chemistry, 225 Prospect Street, Yale University, New Haven, CT 06511-8499 USA
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- Department of Chemistry and Biochemistry, City University of New York, Hunter College, 695 Park Avenue, New York, NY 10065, USA
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- Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
- Institute of Organic and Biochemistry, Academy of Sciences of Czech Republic, Flemingovo nam 2, Praha CZ 16610, Czech Republic
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- Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
- Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
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- Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
- School of Chemistry, University of Bristol, Bristol BS8 1TS, UK
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- Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
- Department of Chemistry, University of Pisa, Via Risorgimento 35 Pisa 1-56125, Italy
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- Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India
- Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309, USA
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Published Online: 2011-07-08 | DOI: https://doi.org/10.1351/PAC-REC-10-01-02
Free Access
Keywords: bonding; charge transfer; hydrogen bond; IUPAC Physical and Biophysical Chemistry Division; molecular interactions; noncovalent interactions
Project Year: 2004, Project Code: 2004-026-2-100
References
- 1
, E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci, D. J. Nesbitt. Pure Appl. Chem.83, 1619 (2011).CrossrefGoogle Scholar
About the article
Published Online: 2011-07-08
Published in Print: 2011-07-08
Citation Information: Pure and Applied Chemistry, Volume 83, Issue 8, Pages 1637–1641, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: https://doi.org/10.1351/PAC-REC-10-01-02.
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- Preface
- Superelectrophilic chemistry in the gas phase
- Does glycosyl transfer involve an oxacarbenium intermediate? Computational simulation of the lifetime of the methoxymethyl cation in water
- A graph-theoretical model for ballistic conduction in single-molecule conductors
- Dendron-functionalized multiwalled carbon nanotubes incorporating polyoxometalates for water-splitting catalysis
- Benzopyrrole derivatives as effective anion receptors in highly competitive solvents
- Enzymatic catalysis of proton transfer and decarboxylation reactions
- State diagrams for improving processing and storage of foods, biological materials, and pharmaceuticals (IUPAC Technical Report)
- Defining the hydrogen bond: An account (IUPAC Technical Report)
- Definition of the hydrogen bond (IUPAC Recommendations 2011)
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